4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid

C22H27NO4 — CID 120690192

IUPAC4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
SMILESCCC(C(=O)NC(CCC(=O)O)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H27NO4/c1-3-20(17-9-12-19(27-2)13-10-17)22(26)23-18(11-14-21(24)25)15-16-7-5-4-6-8-16/h4-10,12-13,18,20H,3,11,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZWDGNYVOPYTJDO-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.78
Rot. Bonds10

About 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid

4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid (PubChem CID 120690192) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
PubChem CID120690192
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
SMILESCCC(C(=O)NC(CCC(=O)O)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H27NO4/c1-3-20(17-9-12-19(27-2)13-10-17)22(26)23-18(11-14-21(24)25)15-16-7-5-4-6-8-16/h4-10,12-13,18,20H,3,11,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZWDGNYVOPYTJDO-UHFFFAOYSA-N
XLogP3.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
3-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)butanoylamino]propanoic acid
CID 120684395

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid (CID 120690192) is 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid is CCC(C(=O)NC(CCC(=O)O)Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid?
The InChIKey is ZWDGNYVOPYTJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-20(17-9-12-19(27-2)13-10-17)22(26)23-18(11-14-21(24)25)15-16-7-5-4-6-8-16/h4-10,12-13,18,20H,3,11,14-15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid?
4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid has a molecular weight of 369.46 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120690192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).